2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid

C10H16N2O3 — CID 122577432

IUPAC2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCC(C(=O)O)c1nnc([C@@H](C)C(C)C)o1
InChIInChI=1S/C10H16N2O3/c1-5(2)6(3)8-11-12-9(15-8)7(4)10(13)14/h5-7H,1-4H3,(H,13,14)/t6-,7?/m0/s1
InChIKeyGPMMCQWOQFLODK-PKPIPKONSA-N
MW212.25 g/mol
LogP2.02
Rot. Bonds4

About 2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid

2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid (PubChem CID 122577432) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid
PubChem CID122577432
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCC(C(=O)O)c1nnc([C@@H](C)C(C)C)o1
InChIInChI=1S/C10H16N2O3/c1-5(2)6(3)8-11-12-9(15-8)7(4)10(13)14/h5-7H,1-4H3,(H,13,14)/t6-,7?/m0/s1
InChIKeyGPMMCQWOQFLODK-PKPIPKONSA-N
XLogP2.02
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole
CID 114771691
4-tert-butyl-2-(3-methylbutan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114372866
dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953728
2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199394
2-[5-(3-methylbutan-2-yl)tetrazol-1-yl]propanoic acid
CID 66042986
2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82125911
2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 23006665
2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 119027578
2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid
CID 83866963
2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid
CID 83859229
2-methyl-3-(thiatriazol-5-yl)propanoic acid
CID 116985728
2-(thiatriazol-5-ylamino)propanoic acid
CID 117044463

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid?
The IUPAC name of 2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid (CID 122577432) is 2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid?
The canonical SMILES for 2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid is CC(C(=O)O)c1nnc([C@@H](C)C(C)C)o1.
What is the InChIKey of 2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid?
The InChIKey is GPMMCQWOQFLODK-PKPIPKONSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5(2)6(3)8-11-12-9(15-8)7(4)10(13)14/h5-7H,1-4H3,(H,13,14)/t6-,7?/m0/s1.
What are the key properties of 2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid?
2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid has a molecular weight of 212.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid is sourced from PubChem (CID 122577432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).